4-methoxy-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride

C19H30ClN3O3 — CID 119718894

IUPAC4-methoxy-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCCNC(=O)CC(C)C2CCNCC2)cc1.Cl
InChIInChI=1S/C19H29N3O3.ClH/c1-14(15-7-9-20-10-8-15)13-18(23)21-11-12-22-19(24)16-3-5-17(25-2)6-4-16;/h3-6,14-15,20H,7-13H2,1-2H3,(H,21,23)(H,22,24);1H
InChIKeySPXUFUGQNHPCPR-UHFFFAOYSA-N
MW383.92 g/mol
LogP1.99
Rot. Bonds8

About 4-methoxy-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride

4-methoxy-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride (PubChem CID 119718894) has the molecular formula C19H30ClN3O3 and a molecular weight of 383.92 g/mol. Its IUPAC name is 4-methoxy-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride
PubChem CID119718894
Molecular FormulaC19H30ClN3O3
Molecular Weight383.92 g/mol
Exact Mass383.20
IUPAC Name4-methoxy-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCCNC(=O)CC(C)C2CCNCC2)cc1.Cl
InChIInChI=1S/C19H29N3O3.ClH/c1-14(15-7-9-20-10-8-15)13-18(23)21-11-12-22-19(24)16-3-5-17(25-2)6-4-16;/h3-6,14-15,20H,7-13H2,1-2H3,(H,21,23)(H,22,24);1H
InChIKeySPXUFUGQNHPCPR-UHFFFAOYSA-N
XLogP1.99
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride
CID 119703424
N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119758283
N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119669583
N-butyl-4-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride
CID 119734312
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119705625
N-[3-(3-methoxyphenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119797678
2,6-difluoro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide
CID 119785718
3-methoxy-N-[2-(3-piperidin-3-ylbutanoylamino)ethyl]benzamide;hydrochloride
CID 119703515
2-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide
CID 119703578
N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119693492
N-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide
CID 119684535
N-ethyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119714137

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride?
The IUPAC name of 4-methoxy-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride (CID 119718894) is 4-methoxy-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride is COc1ccc(C(=O)NCCNC(=O)CC(C)C2CCNCC2)cc1.Cl.
What is the InChIKey of 4-methoxy-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride?
The InChIKey is SPXUFUGQNHPCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3.ClH/c1-14(15-7-9-20-10-8-15)13-18(23)21-11-12-22-19(24)16-3-5-17(25-2)6-4-16;/h3-6,14-15,20H,7-13H2,1-2H3,(H,21,23)(H,22,24);1H.
What are the key properties of 4-methoxy-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride?
4-methoxy-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride has a molecular weight of 383.92 g/mol, XLogP of 1.99, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119718894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).